Information card for entry 2200119

Structure parameters

• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• SMILES: O=C1N(c2c(N(C1=O)CC=C)cccc2)CC=C
• Title of publication: 1,4-Diallylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
• Authors of publication: Mustaphi, N. E.; Ferfra, S.; Essassi, E. M.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o176 - o177
• a: 9.3 ± 0.0005 Å
• b: 15.2215 ± 0.0005 Å
• c: 9.7195 ± 0.0005 Å
• α: 90°
• β: 117.883 ± 0.002°
• γ: 90°
• Cell volume: 1216.16 ± 0.1 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 1.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes